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Drug Details

General Information of the Drug (ID: DR5764)
Name
Desloratadine
Synonyms
Desloratadine; 100643-71-8; Clarinex; Descarboethoxyloratadine; Desloratidine; Neoclarityn; Sch-34117; Aerius; Azomyr; Denosin; Sch 34117; Descarboethoxyoratidine; 8-Chloro-11-piperidin-4-ylidene-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; MFCD00871949; UNII-FVF865388R; CHEMBL1172; Loratadine related compound a; C19H19ClN2; 5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 8-chloro-6,11-dihydro-11-(4-piperidinylidene)-; 8-chloro-11-(piperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; 8-Chloro-6,11-dihydro-11-(4-piperidinylidene)-5H-benzo(5,6)cyclohepta(1,2-b)pyridine; MLS000559042; CHEBI:291342; FVF865388R; NCGC00159325-02; SMR000149358; Opulis; Allex; Clarinex RediTabs; 8-Chloro-6,11-dihydro-11-(4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; DSSTox_CID_24196; DSSTox_RID_80112; DSSTox_GSID_44196; Desalex; 5H-Benzo(5,6)cyclohepta(1,2-b)pyridine, 8-chloro-6,11-dihydro-11-(4-piperidinylidene)-; 8-chloro-11-piperidin-4-ylidene-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine; 8-chloro-6,11-dihydro-11-(4-piperdinylidene)- 5H-benzo[5,6]cyclohepta[1,2-b]pyridine; Clarinex (TN); CAS-100643-71-8; SR-01000668962; Neoclaritin; Desloratadine [USAN:INN:BAN]; Clarinex(R); 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta(1,2-b]pyridin-11-ylidene)-piperidine; 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine; 4-{8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene}-piperidine; 4-{8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene}piperidine; Desloratadine-[d7]; MK-4117; CPD000149358; Opera_ID_1891; SCHEMBL4425; MLS000759406; MLS001201801; MLS001424247; BEN691; Desloratadine (JAN/USP/INN); GTPL7157; ZINC1261; DTXSID1044196; Loratadine related compound a rs; HMS2052H05; HMS2090C06; HMS2093F19; HMS3394H05; HMS3652O15; HMS3715J15; HMS3885C18; Pharmakon1600-01505393; ALBB-027276; BCP02340; HY-B0539; Tox21_111574; ANW-42359; BBL010777; BDBM50073179; CD0143; NSC675447; NSC759824; s4012; STK586537; AKOS000280921; Tox21_111574_1; AC-1279; CCG-101162; DB00967; KS-1048; MCULE-2975958622; NC00412; NSC 759824; NSC-675447; NSC-759824; SB17503; Desloratadine, powder, >=98% (HPLC); NCGC00159325-03; NCGC00159325-04; NCGC00159325-05; 13-chloro-2-(2,2,6,6-tetradeuteriopiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene; AK163520; Loratadine EP Impurity D (Desloratadine); SBI-0206828.P001; AB0012600; D3787; FT-0602522; FT-0666048; R3930; SW197792-3; A19515; D03693; J10309; AB00456701-11; AB00456701-13; AB00456701_14; AB00456701_15; 643D718; L001025; Q418060; Q-200936; SR-01000668962-4; SR-01000668962-5; SR-01000668962-8; BRD-K82357231-001-13-4; Desloratadine, European Pharmacopoeia (EP) Reference Standard; Desloratadine, United States Pharmacopeia (USP) Reference Standard; 4-(8-chloro-5,6-dihydro-11 H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine; 4-(8-chloro-5,6-dihydro-11H-benzo-[5,6]cyclohepta(1,2-b]pyridin-11-ylidene)-piperidine; 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta [1,2-b]pyridin-11-ylidene) piperidine; 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene) piperidine; 8-chloro-11-(4-piperidinylidene)-6,11-dihydro-5H- benzo[4,5]cyclohepta[2,1-b]pyridine; 8-chloro-11-(4-piperidyliden)-6,11-dihydro-5H-benzo[5,6]cyclohepta [1,2-b]pyridine; 8-chloro-11-(4-piperidyliden)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; 8-chloro-11-(4-piperidylidene)-6,11-dihydro-5h-benzo[5.6]cyclohepta[1,2-b]pyridine; 8-Chloro-6,11-dihydro-11-(4-piperidinylidene)-5H- benzo[5,6]cyclohepta[1,2,b]pyridine; 8-chloro-6,11-dihydro-11-(4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; Desloratadine for system suitability, European Pharmacopoeia (EP) Reference Standard; Desloratidine, Pharmaceutical Secondary Standard; Certified Reference Material; Loratadine Related Compound A, United States Pharmacopeia (USP) Reference Standard; 13-chloro-2-(piperidin-4-ylidene)-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene; 8-CHLORO-11-(4-PIPERIDYLIDENE)-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-b]PYRIDINE; 8-Chloro-11-(piperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine (Descarboethoxyloratadine; Desloratadine)
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Molecular Type
Small molecule
Disease Vasomotor/allergic rhinitis [ICD-11: CA08] Approved [1]
Structure
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2D MOL

3D MOL

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Formula
C19H19ClN2
PubChem CID
124087
Canonical SMILES
C1CC2=C(C=CC(=C2)Cl)C(=C3CCNCC3)C4=C1C=CC=N4
InChI
1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2
InChIKey
JAUOIFJMECXRGI-UHFFFAOYSA-N
CAS Number
CAS 100643-71-8
ChEBI ID
CHEBI:291342
TTD Drug ID
D01GBY
DrugBank ID
DB00967
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug
          Isotretinoin      Homo sapiens     Click to Show/Hide the Molecular Data of This NP
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    In-vivo Model Clinical Trial
                    Experimental
                    Result(s)
While no side effects other than dryness of the lips were noted, a significant reduction of the erythema and edema could be observed in all patients.
Target and Pathway
Target(s) Histamine H1 receptor (H1R)  Molecule Info  [3]
KEGG Pathway Calcium signaling pathway Click to Show/Hide
2 Neuroactive ligand-receptor interaction
3 Inflammatory mediator regulation of TRP channels
Panther Pathway Histamine H1 receptor mediated signaling pathway Click to Show/Hide
Reactome Histamine receptors Click to Show/Hide
2 G alpha (q) signalling events
WikiPathways Monoamine GPCRs Click to Show/Hide
2 GPCRs, Class A Rhodopsin-like
3 IL-4 Signaling Pathway
4 Gastrin-CREB signalling pathway via PKC and MAPK
5 GPCR ligand binding
6 GPCR downstream signaling
References
Reference 1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7157).
Reference 2 Combination of ultra-low-dose isotretinoin and antihistamines in treating Morbihan disease - a new long-term approach with excellent results and a minimum of side effects. J Dermatolog Treat. 2020 Feb 5;1-4.
Reference 3 Examining the tolerability of the non-sedating antihistamine desloratadine: a prescription-event monitoring study in England. Drug Saf. 2009;32(2):169-79.
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Correspondence

X. N. Sun, Y. T. Zhang, Y. Zhou, X. C. Lian, L. L. Yan, T. Pan, T. Jin, H. Xie, Z. M. Liang, W. Q. Qiu, J. X. Wang, Z. R. Li, F. Zhu*, X. B. Sui*. NPCDR: natural product-based drug combination and its disease-specific molecular regulation. Nucleic Acids Research. 50(D1): 1324-1333 (2020). PMID: 34664659

Prof. Feng ZHU  (zhufeng@zju.edu.cn)

College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, China


Prof. Xinbing SUI  (hzzju@hznu.edu.cn)

School of Pharmacy and Department of Medical Oncology, the Affiliated Hospital of Hangzhou Normal University, Hangzhou Normal University, Hangzhou, China